1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole

C18H31N — CID 58975400

IUPAC1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC1CC2CCCC(N3CCC4CCCCC43)C2C1
InChIInChI=1S/C18H31N/c1-13-11-15-6-4-8-18(16(15)12-13)19-10-9-14-5-2-3-7-17(14)19/h13-18H,2-12H2,1H3
InChIKeyYJQTWRDYGVQQHI-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.47
Rot. Bonds1

About 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole

1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 58975400) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID58975400
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC1CC2CCCC(N3CCC4CCCCC43)C2C1
InChIInChI=1S/C18H31N/c1-13-11-15-6-4-8-18(16(15)12-13)19-10-9-14-5-2-3-7-17(14)19/h13-18H,2-12H2,1H3
InChIKeyYJQTWRDYGVQQHI-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 58975400) is 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is CC1CC2CCCC(N3CCC4CCCCC43)C2C1.
What is the InChIKey of 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is YJQTWRDYGVQQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-13-11-15-6-4-8-18(16(15)12-13)19-10-9-14-5-2-3-7-17(14)19/h13-18H,2-12H2,1H3.
What are the key properties of 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 261.45 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 58975400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).